sulfanylmethyl thiooctanoate | 2432-83-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: sulfanylmethyl thiooctanoate
• 英文别名: S-methyl octanethioate；S-methyl thiocaprylate；Thiooctansaeure-methylester；Methyl-thiooctanoat；Octanethioic acid, S-methyl ester
• CAS: 2432-83-9
• 化学式: C₉H₁₈OS
• 分子量: 174.307
• InChiKey: UKPKZMMTLNIPKR-UHFFFAOYSA-N

物化性质

• 沸点：
  65-68 °C(Press: 0.3 Torr)
• 密度：
  0.926±0.06 g/cm3(Predicted)
• LogP：
  3.913 (est)
• 保留指数：
  1293

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  11
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2930909090

反应信息

• 作为产物：
  描述：

  1,1-bis-methylsulfanyl-oct-1-ene 在 水 、 三氟乙酸 作用下， 生成 sulfanylmethyl thiooctanoate
  参考文献：
  名称：

  S-Methyl Thiocarboxylates from Aldehydes and Ketones through Ketene Thioacetals. Reductive Nucleophile Thiocarbonylation

  摘要：

  DOI：

  10.1055/s-1975-23806

文献信息

• [EN] METHOD FOR PREPARING LARGAZOLE ANALOGS AND USES THEREOF<br/>[FR] PROCÉDÉ DE PRÉPARATION DE PARTICULES CREUSES ET LEURS UTILISATIONS
  申请人：UNIV COLORADO STATE RES FOUND

  公开号：WO2016144665A1

  公开（公告）日：2016-09-15

  Analogs of largazole are described herein. Methods of treating cancer and blood disorders using largazole and largazole analogs and pharmaceutical compositions comprising the same are additionally described herein. Methods for preparing largazole analogs are likewise described.

  本文描述了类似largazole的类似物。此外，还描述了使用largazole和largazole类似物治疗癌症和血液疾病的方法，以及包含它们的药物组合物。同样描述了制备largazole类似物的方法。
• Identification and biosynthesis of tropone derivatives and sulfur volatiles produced by bacteria of the marine Roseobacter clade
  作者：Verena Thiel、Thorsten Brinkhoff、Jeroen S. Dickschat、Susanne Wickel、Jörg Grunenberg、Irene Wagner-Döbler、Meinhard Simon、Stefan Schulz

  DOI：10.1039/b909133e

  日期：——

  Bacteria of the Roseobacter clade are abundant marine bacteria and are important contributors to the global sulfur cycle. The volatiles produced by two of its members, Phaeobacter gallaeciensis and Oceanibulbus indolifex, were analyzed to investigate whether the released compounds are derived from sulfur metabolism, and which biosynthetic pathways are involved in their formation. Both bacteria emitted different sulfides and thioesters, including new natural compounds such as S-methyl phenylethanethioate (16) and butyl methanesulfonate (21). The S-methyl alkanoates were identified by comparison with standards that were synthesized from the respective methyl alkanoates by a new method using an easily prepared aluminium/sulfur reagent. Phaeobacter gallaeciensis is also able to produce tropone (37) in large amounts. Its biosynthesis was investigated by various feeding experiments, showing that 37 is formed via a deviation of the phenylacetate catabolism. The unstable tropone hydrate 42 was identified as an intermediate of the tropone biosynthesis that was also released together with tropolone (38).

  Roseobacter 支系的细菌是丰富的海洋细菌，是全球硫循环的重要贡献者。研究人员分析了其中两个成员 Phaeobacter gallaeciensis 和 Oceanibulbus indolifex 产生的挥发性物质，以研究释放的化合物是否来自硫代谢，以及形成这些化合物的生物合成途径。两种细菌都释放出不同的硫化物和硫代酯，包括新的天然化合物，如 S-甲基苯硫酸盐（16）和甲基磺酸丁酯（21）。这些 S-甲基烷酸酯是通过与标准品进行比较而鉴定出来的，标准品是通过使用一种易于制备的铝/硫试剂的新方法从相应的甲基烷酸酯中合成的。加拉埃希氏芽孢杆菌也能大量生产托品酮（37）。通过各种喂养实验对其生物合成进行了研究，结果表明 37 是通过苯乙酸分解代谢的偏差形成的。不稳定的托品酮水合物 42 被确定为托品酮生物合成的中间产物，它也会与托品酮一起释放出来（38）。
• Differentiation of lyme disease and southern tick-associated rash illness
  申请人：Colorado State University Research Foundation

  公开号：US11230728B2

  公开（公告）日：2022-01-25

  The present disclosure provides a biosignature that distinguishes Lyme disease, including early Lyme disease, from STARI. The present disclosure also provides methods for detecting Lyme disease and STARI, as well as methods for treating subjects diagnosed with Lyme disease or STARI.

  本公开提供了一种生物特征，可将莱姆病（包括早期莱姆病）与 STARI 区分开来。本公开还提供了检测莱姆病和 STARI 的方法，以及治疗被诊断患有莱姆病或 STARI 的受试者的方法。
• Haynes, Richard K.; Indorato, Carlo, Australian Journal of Chemistry, 1984, vol. 37, # 6, p. 1183 - 1194
  作者：Haynes, Richard K.、Indorato, Carlo

  DOI：——

  日期：——
• The reaction of thiocaprylic acid with methyl thiocyanate
  作者：V. A. Vinokurov、Yu. N. Polivin、M. A. Silin、E. A. Ageev、M. A. Zatikyan、R. A. Karakhanov

  DOI：10.1007/bf00957816

  日期：1989.9